5-tert-butyl-2H-tetrazole;5-tert-butyl-1H-1,2,4-triazole;methane

C12H25N7 — CID 160844313

IUPAC5-tert-butyl-2H-tetrazole;5-tert-butyl-1H-1,2,4-triazole;methane
SMILESC.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1nn[nH]n1
InChIInChI=1S/C6H11N3.C5H10N4.CH4/c1-6(2,3)5-7-4-8-9-5;1-5(2,3)4-6-8-9-7-4;/h4H,1-3H3,(H,7,8,9);1-3H3,(H,6,7,8,9);1H4
InChIKeySILDBRWYTHMJPP-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.24
Rot. Bonds

About 5-tert-butyl-2H-tetrazole;5-tert-butyl-1H-1,2,4-triazole;methane

5-tert-butyl-2H-tetrazole;5-tert-butyl-1H-1,2,4-triazole;methane (PubChem CID 160844313) has the molecular formula C12H25N7 and a molecular weight of 267.38 g/mol. Its IUPAC name is 5-tert-butyl-2H-tetrazole;5-tert-butyl-1H-1,2,4-triazole;methane.

Molecular Properties

Compound Name5-tert-butyl-2H-tetrazole;5-tert-butyl-1H-1,2,4-triazole;methane
PubChem CID160844313
Molecular FormulaC12H25N7
Molecular Weight267.38 g/mol
Exact Mass267.22
IUPAC Name5-tert-butyl-2H-tetrazole;5-tert-butyl-1H-1,2,4-triazole;methane
SMILESC.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1nn[nH]n1
InChIInChI=1S/C6H11N3.C5H10N4.CH4/c1-6(2,3)5-7-4-8-9-5;1-5(2,3)4-6-8-9-7-4;/h4H,1-3H3,(H,7,8,9);1-3H3,(H,6,7,8,9);1H4
InChIKeySILDBRWYTHMJPP-UHFFFAOYSA-N
XLogP2.24
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2H-tetrazole;5-tert-butyl-1H-1,2,4-triazole;methane?
The IUPAC name of 5-tert-butyl-2H-tetrazole;5-tert-butyl-1H-1,2,4-triazole;methane (CID 160844313) is 5-tert-butyl-2H-tetrazole;5-tert-butyl-1H-1,2,4-triazole;methane.
What is the SMILES notation for 5-tert-butyl-2H-tetrazole;5-tert-butyl-1H-1,2,4-triazole;methane?
The canonical SMILES for 5-tert-butyl-2H-tetrazole;5-tert-butyl-1H-1,2,4-triazole;methane is C.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1nn[nH]n1.
What is the InChIKey of 5-tert-butyl-2H-tetrazole;5-tert-butyl-1H-1,2,4-triazole;methane?
The InChIKey is SILDBRWYTHMJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.C5H10N4.CH4/c1-6(2,3)5-7-4-8-9-5;1-5(2,3)4-6-8-9-7-4;/h4H,1-3H3,(H,7,8,9);1-3H3,(H,6,7,8,9);1H4.
What are the key properties of 5-tert-butyl-2H-tetrazole;5-tert-butyl-1H-1,2,4-triazole;methane?
5-tert-butyl-2H-tetrazole;5-tert-butyl-1H-1,2,4-triazole;methane has a molecular weight of 267.38 g/mol, XLogP of 2.24, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2H-tetrazole;5-tert-butyl-1H-1,2,4-triazole;methane is sourced from PubChem (CID 160844313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).